Summary

IMPPAT Phytochemical identifier: IMPHY017053

Phytochemical name: 4-Methylthio-(3z)-butenyl isothiocyanate

Synonymous chemical names:
4-methylthio-(3z)-butenyl isothiocyanate

External chemical identifiers:
CID:129847952

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Chemical structure information

SMILES:
CSCC/C=CN=C=S

InChI:
InChI=1S/C6H9NS2/c1-9-5-3-2-4-7-6-8/h2,4H,3,5H2,1H3/b4-2-

InChIKey:
WUWOBYZUQAUUMS-RQOWECAXSA-N

DeepSMILES:
CSCC/C=CN=C=S

Functional groups:
C/C=CN=C=S, CSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Isothiocyanates

NP-Likeness score: 0.401

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Chemical structure download